Ojima:KOX00711p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Deoxyadenosine

IDs and Links
MassBank	5-Deoxyadenosine
CAS	4754-39-6
Keio ID	D082+

Top 10 Similar Molecules of 5-Deoxyadenosine

Ranking	About scoring
D082+ Score:24.12 D069+ Score:24.12 Z002+ Score:22.28 D067+ Score:17.89 F014+ Score:17.89 A007+ Score:17.89 M110+ Score:17.78 M104+ Score:12.76 M074+ Score:12.76 M054+ Score:12.76	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C10H14N5O3:   D069+  D082+   Pages Related to Peak C5H6N5:   A007+  A037+  F014+  Z002+  A020+  D067+  D069+  D082+   Pages Related to Peak C5H3N4:   A007+  A037+  F014+  H014+  M054+  M074+  M104+  Z002+  D067+  D069+  D082+  M051+  M110+   Pages Related to Peak C4H4N3:   A007+  A071+  A237+  C033+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  P075+  Z001+  Z002+  D067+  D069+  D082+  D183+  M030+  M051+  M110+  P049+  P081+  T027+   Pages Related to Peak C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+   Pages Related to Peak C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+   Pages Related to Peak C5H11:   I039+  O007+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00711p	252 C10H14N5O3	136 C5H6N5	119 C5H3N4	94 C4H4N3	79 C6H7	73 C3H5O2	71 C5H11	67 C3H3N2	57 C4H9
252 C10H14N5O3
136 C5H6N5	C5H8O3
119 C5H3N4	C5H11NO3	H3N
94 C4H4N3	C6H10N2O3	CH2N2
79 C6H7	C4H7N5O3
73 C3H5O2	C7H9N5O
71 C5H11	C5H3N5O3
67 C3H3N2	C7H11N3O3	C2H3N3	C2N2	CHN
57 C4H9	C6H5N5O3						CH2

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